Molecule

ID:118812

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂OS
Molecular Mass
270.34946
Exact Mass
270.08268408
Charge
0
InChI
InChI=1S/C15H14N2OS/c1-2-18-12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,2,16H2,1H3
InChIKey
LEOZQOJMMLSBDY-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)sc(n2)c1ccc(cc1)N
Isomeric Smiles
c1(nc2c(s1)cc(cc2)OCC)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5065994
LogD (pH = 7.4)
3.5084293
Log P
3.5084527
Molar Refractivity
88.1425
Polarizability
31.416199
Polar Surface Area
48.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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